Supported Applications

ACEMD

Description

a heavily optimized molecular dynamics (MD) engine specially designed to run on NVIDA GPUs. It is extremely fast (115ns/day for DHFR using 1 GPU) and performs MD simulations on the microsecond scale in a single workstation. ACDMD can read CHARMM/NAMD and AMBER input files, works with CUDA and OpenCL, and uses similar syntax to other MD software.

Usage Notes

​ACEMD (Basic Mode) is freely available to non-profit labs. Basic mode limits users from running the software on more than one GPU. To access this software, users must register using the htmd_register command. Users will need an ACEMD Pro node-locked license from Acellera to run the software on multiple GPUs.